Information card for entry 7032696

Structure parameters

• Formula: C27 H51 N6 Nb S2
• Calculated formula: C27 H51 N6 Nb S2
• SMILES: [Nb]12(SC(=[S]1)N(C)C)(=Nc1c(cccc1C(C)C)C(C)C)([N](=C(N2C(C)C)NC(C)C)C(C)C)N(C)C
• Title of publication: Mixed amido-/imido-/guanidinato niobium complexes: synthesis and the effect of ligands on insertion reactions.
• Authors of publication: Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17434 - 17444
• a: 11.1088 ± 0.0004 Å
• b: 16.4664 ± 0.0006 Å
• c: 18.0246 ± 0.0007 Å
• α: 90°
• β: 91.968 ± 0.002°
• γ: 90°
• Cell volume: 3295.2 ± 0.2 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No